Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.34 |
| ▸ | MAPT | P10636 | 4/20 | 0.34 |
| ▸ | HPGD | P15428 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | CRHBP | P24387 | 2/20 | 0.34 |
| ▸ | CRHR2 | Q13324 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | GFER | P55789 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL6971986 | 0.90 | CYP2C9 (0.36) | HSP90AA1CYP2C19CYP2D6CYP2C9RECQL | |
| SCHEMBL8801589 | 0.89 | HSP90AA1 (0.38) | HSP90AA1CYP2C19CYP2D6CYP2C9RECQL | |
| SCHEMBL7085473 | 0.89 | MEN1 (0.35) | HSP90AA1CYP2C19CYP2D6CYP2C9RECQL | |
| SCHEMBL7084576 | 0.88 | LMNA (0.35) | HSP90AA1CYP2C19CYP2D6CYP2C9RECQL | |
| SCHEMBL6964269 | 0.87 | HSP90AA1 (0.39) | HSP90AA1CYP2D6ALDH1A1MAPTHPGD | |
| SCHEMBL6966439 | 0.87 | HSP90AA1 (0.41) | HSP90AA1CYP2C19CYP2D6CYP2C9RECQL | |
| SCHEMBL6969746 | 0.86 | MEN1 (0.40) | HSP90AA1CYP2C19CYP2D6CYP2C9RECQL | |
| SCHEMBL6972247 | 0.85 | HSP90AA1 (0.38) | HSP90AA1CYP2C19CYP2D6CYP2C9RECQL | |
| SCHEMBL7083804 | 0.85 | PDE4A (0.36) | CYP2C19CYP2D6CYP2C9RECQLALDH1A1 | |
| SCHEMBL6966066 | 0.85 | HSP90AA1 (0.36) | HSP90AA1CYP2C19CYP2D6CYP2C9RECQL |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0786455-B1 | IMIDAZOLE DERIVATIVE | SHIONOGI & CO (JP) | 2003-12-03 | — | — | EP | disclosed |
| US-6147097-A | METHOD FOR TREATING AIDS | SHIONOGI & CO., LTD. (JP) | 2000-11-14 | — | — | US | disclosed |
| US-5910506-A | IMIDAZOLE DERIVATIVES, E.G.5-(3,5-DICHLOROPHENYLTHIO)-1,2-DIMETHYL-4-ISOPROPYL-1H-IMIDAZOLE; VIRICIDES; AIDS; NONTOXIC | SHIONOGI & CO., LTD. (JP) | 1999-06-08 | — | — | US | disclosed |
| EP-0786455-A1 | IMIDAZOLE DERIVATIVE | SHIONOGI & CO., LTD. (JP) | 1997-07-30 | — | — | EP | disclosed |